| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2008 | 7 | Yes |
Popular Name: Diethylenetriamine Diethylenetriamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 111-40-0 , [111-40-0]
colestipol HCl; copolymer of diethylenetriamine and 1-chloro-2,3-epoxypropane, hydrochloride
N-(2-Aminoethyl)-1,2-ethanediamine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.64 | -4.35 | -95.59 | 7 | 3 | 2 | 67 | 105.185 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.64 | -4.74 | -40.97 | 6 | 3 | 1 | 66 | 104.177 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 40 | Acros Organics |
| Melting_Point | 40? | Alfa-Aesar |
| Melting_Point | 40° | Alfa-Aesar |
| Boiling_Point | 200-204? | Alfa-Aesar |
| Boiling_Point | 200-204° | Alfa-Aesar |
| BP [°C] | 206 | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H312: Harmful in contact with skin; H330: Fatal if inhaled; H302: Harmful if swallowed; H317: May cause an allergic skin reaction; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P301 + P330 + P331: IF SWALLOWED: rinse | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R26: Very toxic by inhalation.; R34: Causes burns.; R37: Irritating to respiratory system.; R43: May cause sensitisation by skin contact. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | T+: Very toxic | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.